LAMMPS (24 Jul 2017)
  using 1 OpenMP thread(s) per MPI task
# Test of SW potential for Si system

units		metal
boundary	p p p

atom_style	atomic

read_data	data_sw
  orthogonal box = (0 0 0) to (5.431 5.431 5.431)
  1 by 1 by 1 MPI processor grid
  reading atoms ...
  8 atoms

pair_style	quip
pair_coeff	* * sw_example.xml "IP SW" 14

velocity        all create 10.0 355311
neighbor	0.3 bin
neigh_modify	delay 10

fix		1 all nve
thermo		10
timestep	0.001

#dump		1 all custom 10 dump.sw id fx fy fz

run		100
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.2258
  ghost atom cutoff = 4.2258
  binsize = 2.1129, bins = 3 3 3
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair quip, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 2.684 | 2.684 | 2.684 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0           10       -34.68            0   -34.670952    32.206289 
      10    4.5659178   -34.675073            0   -34.670942    46.253731 
      20     1.606683   -34.672391            0   -34.670937    44.736892 
      30    6.7007748   -34.677011            0   -34.670948    16.403049 
      40     5.682757   -34.676087            0   -34.670945    18.696408 
      50    2.2140716   -34.672942            0   -34.670939    37.592282 
      60    5.0475382   -34.675512            0   -34.670944    37.331666 
      70    7.0990979   -34.677369            0   -34.670946    40.533757 
      80    5.7306189   -34.676128            0   -34.670943    47.748813 
      90    5.0895648   -34.675549            0   -34.670944    38.092721 
     100    4.1070919   -34.674659            0   -34.670943    28.737864 
Loop time of 0.384233 on 1 procs for 100 steps with 8 atoms

Performance: 22.486 ns/day, 1.067 hours/ns, 260.259 timesteps/s
94.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.38365    | 0.38365    | 0.38365    |   0.0 | 99.85
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.00017333 | 0.00017333 | 0.00017333 |   0.0 |  0.05
Output  | 0.00014162 | 0.00014162 | 0.00014162 |   0.0 |  0.04
Modify  | 7.081e-05  | 7.081e-05  | 7.081e-05  |   0.0 |  0.02
Other   |            | 0.0001957  |            |       |  0.05

Nlocal:    8 ave 8 max 8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    162 ave 162 max 162 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  128 ave 128 max 128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 128
Ave neighs/atom = 16
Neighbor list builds = 0
Dangerous builds = 0
Total wall time: 0:00:00
